4-(4-iodophenyl)selenadiazole

C8H5IN2Se — CID 71326939

IUPAC4-(4-iodophenyl)selenadiazole
SMILESIc1ccc(-c2c[se]nn2)cc1
InChIInChI=1S/C8H5IN2Se/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H
InChIKeyXVYBLPFFRDXVDZ-UHFFFAOYSA-N
MW335.01 g/mol
LogP1.81
Rot. Bonds1

About 4-(4-iodophenyl)selenadiazole

4-(4-iodophenyl)selenadiazole (PubChem CID 71326939) has the molecular formula C8H5IN2Se and a molecular weight of 335.01 g/mol. Its IUPAC name is 4-(4-iodophenyl)selenadiazole.

Molecular Properties

Compound Name4-(4-iodophenyl)selenadiazole
PubChem CID71326939
Molecular FormulaC8H5IN2Se
Molecular Weight335.01 g/mol
Exact Mass335.87
IUPAC Name4-(4-iodophenyl)selenadiazole
SMILESIc1ccc(-c2c[se]nn2)cc1
InChIInChI=1S/C8H5IN2Se/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H
InChIKeyXVYBLPFFRDXVDZ-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.01
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)selenadiazole?
The IUPAC name of 4-(4-iodophenyl)selenadiazole (CID 71326939) is 4-(4-iodophenyl)selenadiazole.
What is the SMILES notation for 4-(4-iodophenyl)selenadiazole?
The canonical SMILES for 4-(4-iodophenyl)selenadiazole is Ic1ccc(-c2c[se]nn2)cc1.
What is the InChIKey of 4-(4-iodophenyl)selenadiazole?
The InChIKey is XVYBLPFFRDXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2Se/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H.
What are the key properties of 4-(4-iodophenyl)selenadiazole?
4-(4-iodophenyl)selenadiazole has a molecular weight of 335.01 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)selenadiazole is sourced from PubChem (CID 71326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).